Decominol
Basic information
- CAS
60812-35-3- Standard SMILES
CCCCCCCCCCOCC(O)CN- InChIKey
GZIZSEZACLNKGZ-UHFFFAOYSA-N- Molecular formula
- C13H29NO2
- Average molar mass
- 231.37 g/mol
- Monoisotopic mass
- 231.21982917
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Decominol
- IUPAC
- 1-amino-3-decoxypropan-2-ol
- English name
- Decominol
- Molecular formula
- C13H29NO2
- Molecular weight
- 231.37
Names & synonyms
Decominol60812-35-3Decominolum1-Amino-3-(decyloxy)-2-propanol3-decyloxy-2-hydroxy-1-aminopropane4A3T9Z2TKX2-Propanol, 1-amino-3-(decyloxy)-DTXSID8048363RefChem:131324DTXCID4028337Decominol [INN]1-amino-3-(decyloxy)propan-2-ol
Show more names
1-Amino-3-decyloxy-2-propanol
1-amino-3-decoxypropan-2-olNCGC00166070-01Decominolum [INN-Latin]UNII-4A3T9Z2TKX(+/-)-DECOMINOLSCHEMBL2110649CHEMBL1569318DECOMINOL, (+/-)-
Database identifiers
- CAS
60812-35-3- PubChem CID
- 68805
- DTXSID
DTXSID8048363- ChEMBL
CHEMBL1569318- UNII
- 4A3T9Z2TKX
- Nikkaji
- J32.872C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 348.1 · 348.1±22.0 °C(Predicted)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.35(Predicted)
- FDA UNII
- 4 A3T9Z2TKX · 4A3T9Z2TKX
- Comptox DTXSID
- 8048363 · DTXSID8048363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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